2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole

C24H21ClN8O — CID 139472443

IUPAC2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole
SMILESClc1cc(-c2n[nH]c3ccc(-c4nnc(C5CCCN(Cc6ccncn6)C5)o4)cc23)ccn1
InChIInChI=1S/C24H21ClN8O/c25-21-11-15(5-8-27-21)22-19-10-16(3-4-20(19)29-30-22)23-31-32-24(34-23)17-2-1-9-33(12-17)13-18-6-7-26-14-28-18/h3-8,10-11,14,17H,1-2,9,12-13H2,(H,29,30)
InChIKeyGBEDOQDXTALIEC-UHFFFAOYSA-N
MW472.94 g/mol
LogP4.50
Rot. Bonds5

About 2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole

2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 139472443) has the molecular formula C24H21ClN8O and a molecular weight of 472.94 g/mol. Its IUPAC name is 2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole
PubChem CID139472443
Molecular FormulaC24H21ClN8O
Molecular Weight472.94 g/mol
Exact Mass472.15
IUPAC Name2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole
SMILESClc1cc(-c2n[nH]c3ccc(-c4nnc(C5CCCN(Cc6ccncn6)C5)o4)cc23)ccn1
InChIInChI=1S/C24H21ClN8O/c25-21-11-15(5-8-27-21)22-19-10-16(3-4-20(19)29-30-22)23-31-32-24(34-23)17-2-1-9-33(12-17)13-18-6-7-26-14-28-18/h3-8,10-11,14,17H,1-2,9,12-13H2,(H,29,30)
InChIKeyGBEDOQDXTALIEC-UHFFFAOYSA-N
XLogP4.50
TPSA109.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.94
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
CID 161120788
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849716
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 110243014
2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole
CID 162259136
2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 95849799
2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92572835
2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole
CID 159755907
N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine
CID 123762873
1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine
CID 63988082
2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 53017492
4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine
CID 131891459

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole (CID 139472443) is 2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole is Clc1cc(-c2n[nH]c3ccc(-c4nnc(C5CCCN(Cc6ccncn6)C5)o4)cc23)ccn1.
What is the InChIKey of 2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is GBEDOQDXTALIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN8O/c25-21-11-15(5-8-27-21)22-19-10-16(3-4-20(19)29-30-22)23-31-32-24(34-23)17-2-1-9-33(12-17)13-18-6-7-26-14-28-18/h3-8,10-11,14,17H,1-2,9,12-13H2,(H,29,30).
What are the key properties of 2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole?
2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 472.94 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[1-(pyrimidin-4-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 139472443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).